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Substance Name: Chaulmoogric acid
RN: 29106-32-9
UNII: 6TD35V6OLU
InChIKey: XMVQWNRDPAAMJB-QGZVFWFLSA-N

Note

  • Component of CHAULMOOGRA OIL.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H32-O2

Molecular Weight

  • 280.4488
 
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Names and Synonyms

Name of Substance

  • Chaulmoogric acid

Synonyms

  • (S)-2-Cyclopentene-1-tridecanoic acid
  • 26989 AND 52425
  • 4-09-00-00216 (Beilstein Handbook Reference)
  • BRN 3204530
  • Chaulmoogric acid
  • EINECS 249-440-7
  • NSC 14979
  • UNII-6TD35V6OLU

Systematic Names

  • 13-(Cyclopent-2-enyl)tridecanoic acid
  • 2-Cyclopentene-1-tridecanoic acid
  • 2-Cyclopentene-1-tridecanoic acid, (S)-

Registry Numbers

CAS Registry Number

  • 29106-32-9

FDA UNII

  • 6TD35V6OLU

System Generated Number

  • 0029106329

Structure Descriptors

InChI

1S/C18H32O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,1-10,12-13,15-16H2,(H,19,20)/t17-/m1/s1

InChIKey

XMVQWNRDPAAMJB-QGZVFWFLSA-N

Smiles

OC(=O)CCCCCCCCCCCC[C@H]1CCC=C1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 373, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 68.5 deg C   EXP
log P (octanol-water) 7.540 (none)   EST
Atmospheric OH Rate Constant 7.68E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.